Supplementary Figure 4: Docking of FTY720-P into the active site of HDAC2. | Nature Neuroscience

Supplementary Figure 4: Docking of FTY720-P into the active site of HDAC2.

From: Active, phosphorylated fingolimod inhibits histone deacetylases and facilitates fear extinction memory

Supplementary Figure 4

(a) Binding mode between FTY720-P and the substrate-binding pocket of HADC2. Active site residues that are involved in the interaction with small molecules are shown as sticks and the Zn atom is shown as a sphere. The polar contacts between active site residues, Zn, and small molecules are represented by black dashed lines. (b) Schematic representation of the interaction of FTY720-P with HDAC2 calculated by Ligplot. Thatched semi-circles indicate van der Waals contacts between hydrophobic amino acid residues and FTY720-P. Hydrogen bonds are shown as green dashed lines.

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